3-acetyl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid

C9H9NO3S — CID 67803575

IUPAC3-acetyl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
SMILESCC(=O)c1scc2c1CN(C(=O)O)C2
InChIInChI=1S/C9H9NO3S/c1-5(11)8-7-3-10(9(12)13)2-6(7)4-14-8/h4H,2-3H2,1H3,(H,12,13)
InChIKeyZMXWLAOFYZCCHI-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.94
Rot. Bonds1

About 3-acetyl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid

3-acetyl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid (PubChem CID 67803575) has the molecular formula C9H9NO3S and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-acetyl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name3-acetyl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
PubChem CID67803575
Molecular FormulaC9H9NO3S
Molecular Weight211.24 g/mol
Exact Mass211.03
IUPAC Name3-acetyl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
SMILESCC(=O)c1scc2c1CN(C(=O)O)C2
InChIInChI=1S/C9H9NO3S/c1-5(11)8-7-3-10(9(12)13)2-6(7)4-14-8/h4H,2-3H2,1H3,(H,12,13)
InChIKeyZMXWLAOFYZCCHI-UHFFFAOYSA-N
XLogP1.94
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-Acetyl-3-thienyl)methyl]-2,5-pyrrolidinedione
CID 872403
1-(4,5-Dimethylthiophene-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 121909551
(4,5-Dimethylthiophen-3-yl)(pyrrolidin-1-yl)methanone
CID 1244236
1-(5,6-Dihydro-4H-thieno[3,4-c]pyrrol-1-yl)ethanone
CID 15284972
1-(5,6-dihydro-4H-thieno[3,4-c]pyrrol-3-yl)butan-1-one
CID 15284974
3,5-dimethyl-4H-thieno[2,3-c]pyrrol-6-one
CID 59073860
3-Prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
CID 67804043
3-(Piperidine-1-carbonyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
CID 67804047
Tert-butyl 3-acetyl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate
CID 82379616
5-Butyl-1,3-dimethylthieno[3,4-c]pyrrole-4,6-dione
CID 85828192
3-Formyl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
CID 88432502
1,3,5-Trimethylthieno[3,4-c]pyrrole-4,6-dione
CID 89628960

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid?
The IUPAC name of 3-acetyl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid (CID 67803575) is 3-acetyl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid.
What is the SMILES notation for 3-acetyl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid?
The canonical SMILES for 3-acetyl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid is CC(=O)c1scc2c1CN(C(=O)O)C2.
What is the InChIKey of 3-acetyl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid?
The InChIKey is ZMXWLAOFYZCCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3S/c1-5(11)8-7-3-10(9(12)13)2-6(7)4-14-8/h4H,2-3H2,1H3,(H,12,13).
What are the key properties of 3-acetyl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid?
3-acetyl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid has a molecular weight of 211.24 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid is sourced from PubChem (CID 67803575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).